Information card for entry 2209849

Structure parameters

• Chemical name: 2-phenyl-N-(2-pyridylmethyl)acetamide
• Formula: C14 H14 N2 O
• Calculated formula: C14 H14 N2 O
• SMILES: O=C(NCc1ncccc1)Cc1ccccc1
• Title of publication: 2-Phenyl-<i>N</i>-(2-pyridylmethyl)acetamide
• Authors of publication: Whiteaker, Laura R.; Pal Chaudhuri, Urmila; Powell, Douglas R.; Houser, Robert P.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: o3337 - o3338
• a: 13.414 ± 0.002 Å
• b: 9.2478 ± 0.0014 Å
• c: 19.28 ± 0.003 Å
• α: 90°
• β: 99.106 ± 0.005°
• γ: 90°
• Cell volume: 2361.5 ± 0.6 ų
• Cell temperature: 97 ± 2 K
• Ambient diffraction temperature: 97 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0348
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes